ChemSpider 2D Image | (9R,9'R)-5,5'-Bis(D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid | C42H38O20

(9R,9'R)-5,5'-Bis(D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid

  • Molecular FormulaC42H38O20
  • Average mass862.739 Da
  • Monoisotopic mass862.195618 Da
  • ChemSpider ID58823457

  • defined stereocentres - 10 of 12 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(9R,9'R)-5,5'-Bis(D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracen-2,2'-dicarbonsäure [German] [ACD/IUPAC Name]
(9R,9'R)-5,5'-Bis(D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid [ACD/IUPAC Name]
[9,9'-Bianthracene]-2,2'-dicarboxylic acid, 5,5'-bis(D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, (9R,9'R)- [ACD/Index Name]
Acide (9R,9'R)-5,5'-bis(D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tétrahydro-9,9'-bianthracène-2,2'-dicarboxylique [French] [ACD/IUPAC Name]
81-27-6 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 1144.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 176.9±3.0 kJ/mol
Flash Point: 348.6±27.8 °C
Index of Refraction: 1.763
Molar Refractivity: 204.2±0.3 cm3
#H bond acceptors: 20
#H bond donors: 12
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.88
ACD/LogD (pH 5.5): -1.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 348 Å2
Polarizability: 80.9±0.5 10-24cm3
Surface Tension: 107.2±3.0 dyne/cm
Molar Volume: 494.9±3.0 cm3

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